benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HCID 10762402

기본 정보

표준 SMILES
C[C@@]1(C=O)S[C@@H]2CC(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1
InChIKey
UZQCLWUMBJAMRY-LMNJBCLMSA-N
분자식
C21H19NO4S
평균 분자량
381.4 g/mol
단동위원소 질량
381.10347926

이름 및 식별자

우선 이름
benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC
benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

이름 및 동의어

benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate162514-95-6diphenylmethyl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateUZQCLWUMBJAMRY-LMNJBCLMSA-NAKOS032961399DB-208513CS-0120610Benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1 -aza-bicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1- aza-bicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-aza-bicyclo-[3.2.0]heptane-2-carboxylatebenzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptan-2-carboxylateBenzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

데이터베이스 식별자

PubChem CID
10762402

물성

구조 계산 물성

XLogP
2.9
극성 표면적
89 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
27

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