N-((1-(Cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl)methyl)-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide
기본 정보
- CAS
94134-92-6- 표준 SMILES
CNS(=O)(=O)c1cc2c(c(C(=O)NCC3CCCN3CC3=CCCCC3)c1)OCCO2- InChIKey
ZXLRNUMFQGIXKA-UHFFFAOYSA-N- 분자식
- C22H31N3O5S
- 평균 분자량
- 449.6 g/mol
- 단동위원소 질량
- 449.19844227
이름 및 식별자
- 우선 이름
- N-((1-(Cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl)methyl)-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide
- IUPAC
- N-[[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methyl]-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
- 영어명
- N-[[1-(cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide
- 분자식
- C22H31N3O5S
- 분자량
- 449.56364
이름 및 동의어
94134-92-6EINECS 302-863-1N-((1-(Cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl)methyl)-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamideDTXSID30916347ZXLRNUMFQGIXKA-UHFFFAOYSA-NNS00064102N-({1-[(Cyclohex-1-en-1-yl)methyl]pyrrolidin-2-yl}methyl)-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboximidic acidN-[[1-(cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamideN-[[1-(1-Cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-7-[(methylamino)sulfonyl]-1,4-benzodioxin-5-carboxamide
데이터베이스 식별자
- CAS
94134-92-6- PubChem CID
- 16206004
- DTXSID
DTXSID30916347- EC Number
- 302-863-1
- Nikkaji
- J368.268D
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 766
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