기본 정보
- 표준 SMILES
O=C(NCC1CN(c2ccc(NS(=O)(=O)CCCCl)cc2)C(=O)O1)c1ccc(Cl)s1- InChIKey
KGQZMGDQAHIPQC-UHFFFAOYSA-N- 분자식
- C18H19Cl2N3O5S2
- 평균 분자량
- 492.4 g/mol
이름 및 식별자
- 우선 이름
- 5-Chloro-N-{[3-(4-{[(3-chloropropyl)sulfonyl]amino}phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophenecarboxamide
- IUPAC
- 5-chloro-N-[[3-[4-(3-chloropropylsulfonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
이름 및 동의어
SCHEMBL78559BDBM8245CHEMBL3671245KGQZMGDQAHIPQC-UHFFFAOYSA-NUS8822458, 1595-chloro-N-{[3-(4-{[(3-chloro-propyl)sulfonyl]amino}phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophenecarboxamide5-Chloro-N-{[3-(4-{[(3-chloropropyl)sulfonyl]amino}phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophenecarboxamide5-chloro-N-{[3-(4-{[(3-chloropropyl)sulphonyl]amino }phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophene-carboxamide5-chloro-N-{[3-(4-{[(3-chloropropyl)sulphonyl]amino}phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophene-carboxamide5-Chloro-N-{[3-(4-{[(3-chloropropyl)sulphonyl]amino}phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}-2-thiophenecarboxamide
데이터베이스 식별자
- PubChem CID
- 21070723
- ChEMBL
CHEMBL3671245
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 713
관련 반응
20건
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