N-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-3-furan-2-yl-propionamide
기본 정보
- 표준 SMILES
Cc1cc(C)n2nc(SC3=C(O)CC(CCNC(=O)CCc4ccco4)(C4CCCC4)OC3=O)nc2n1- InChIKey
PHDBWLYMCCYLFB-UHFFFAOYSA-N- 분자식
- C26H31N5O5S
- 평균 분자량
- 525.6 g/mol
- 단동위원소 질량
- 525.20459028
이름 및 식별자
- 우선 이름
- N-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-3-furan-2-yl-propionamide
- IUPAC
- N-[2-[2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-4-hydroxy-6-oxo-3H-pyran-2-yl]ethyl]-3-(furan-2-yl)propanamide
이름 및 동의어
SCHEMBL3988379PHDBWLYMCCYLFB-UHFFFAOYSA-NN-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-3-fu ran-2-yl-propionamideN-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-3-furan-2-yl-propionamide
데이터베이스 식별자
- PubChem CID
- 58762335
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 883
관련 반응
3건
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